Chuanlong Xu¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.010110

Abstract Grain boundary (GB) is an important microstructure and plays a vital role in the mechanical properties of polycrystalline materials by GB migration and sliding. In this work, molecular dynamic (MD) simulations were performed to investigate the migration mechanisms of symmetric tilt grain boundaries (STGBs) in magnesium. A total of 15 STGBs with the rotation angle θ from 0° to 90° were studied under a pure shear loading. The results show that the GB migration mechanisms are significantly influenced by the GB structure. For small angle STGBs (θ<28°), the GB migration is mediated by twin nucleation from GB… More >

Qishan Huang¹, Haofei Zhou^2,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.010014

Abstract Nanostructured metals contain vast amount of grain boundaries which are crucial to their mechanical behaviors. The plastic deformation mechanisms mediated by grain boundaries have been attracted increasing attentions in recent years. Our recent studies have been focused on using atomistic simulations to understand the grain boundary mediated plastic deformation mechanisms including deformation twinning initiated by dislocation nucleation from grain boundaries [1], cyclic plastic deformability governed by reversible slip of grain boundary dislocations [2], and extreme shear deformation of nanocrystals induced by twin boundary sliding [3]. We have also proposed a misorientation-dependent model to explain the transition between grain boundary migration… More >